Information card for entry 4132121

Structure parameters

• Formula: C139 H132 Au6 Cl F30 O3 P17
• Calculated formula: C139 H132 Au6 Cl F30 O3 P17
• SMILES: [Au]12[Au]34[Au]([Cl][Au]56[Au]78[Au]([P](CC[P]7(CC[P]5(c5ccccc5)c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)[P](CC[P]8(CC[P]6(c5ccccc5)c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)([P](CC[P]3(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC[P]4(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC.OC.OC
• Title of publication: Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.
• Authors of publication: Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7533 - 7542
• a: 25.058 ± 0.002 Å
• b: 13.8613 ± 0.0013 Å
• c: 42.523 ± 0.004 Å
• α: 90°
• β: 91.158 ± 0.0013°
• γ: 90°
• Cell volume: 14767 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No